(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H24N2O5 — CID 7691904

IUPAC(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-4-14(2)15-5-7-16(8-6-15)18(26)12-25-21(27)23(3,24-22(25)28)17-9-10-19-20(11-17)30-13-29-19/h5-11,14H,4,12-13H2,1-3H3,(H,24,28)/t14-,23+/m1/s1
InChIKeyGXDBUKJPMFSQOG-FATZIPQQSA-N
MW408.45 g/mol
LogP3.58
Rot. Bonds6

About (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7691904) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7691904
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-4-14(2)15-5-7-16(8-6-15)18(26)12-25-21(27)23(3,24-22(25)28)17-9-10-19-20(11-17)30-13-29-19/h5-11,14H,4,12-13H2,1-3H3,(H,24,28)/t14-,23+/m1/s1
InChIKeyGXDBUKJPMFSQOG-FATZIPQQSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5S)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595878
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7962117
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
CID 2525067
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7483818
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7691929
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7692093
(5S)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8625120
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7692108
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7691904) is (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1.
What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GXDBUKJPMFSQOG-FATZIPQQSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-14(2)15-5-7-16(8-6-15)18(26)12-25-21(27)23(3,24-22(25)28)17-9-10-19-20(11-17)30-13-29-19/h5-11,14H,4,12-13H2,1-3H3,(H,24,28)/t14-,23+/m1/s1.
What are the key properties of (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 408.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7691904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).